ethyl 1-[(4-methylphenyl)methyl]-4-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(4-methylphenyl)methyl]-4-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: ethyl 4-(benzenesulfonyl)-1-(p-tolylmethyl)piperidine-4-carboxylate CAS Name: 4-(benzenesulfonyl)-1-[(4-methylphenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(benzenesulfonyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxylate Traditional Name: 4-besyl-1-(4-methylbenzyl)isonipecotic acid ethyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27NO4S/c1-3-27-21(24)22(28(25,26)20-7-5-4-6-8-20)13-15-23(16-14-22)17-19-11-9-18(2)10-12-19/h4-12H,3,13-17H2,1-2H3